Efficient pseudopotentials for plane-wave calculations N Troullier, JL Martins Physical review B 43 (3), 1993, 1991 | 18582 | 1991 |
Electronic structure of solid : Experiment and theory JH Weaver, JL Martins, T Komeda, Y Chen, TR Ohno, GH Kroll, ... Physical review letters 66 (13), 1741, 1991 | 692 | 1991 |
A straightforward method for generating soft transferable pseudopotentials N Troullier, JL Martins Solid State Communications 74 (7), 613-616, 1990 | 560 | 1990 |
Bond lengths around isovalent impurities and in semiconductor solid solutions JL Martins, A Zunger Physical Review B 30 (10), 6217, 1984 | 511 | 1984 |
Electronic and structural properties of sodium clusters JL Martins, J Buttet, R Car Physical Review B 31 (4), 1804, 1985 | 467 | 1985 |
Atomic structure and ordering in semiconductor alloys GP Srivastava, JL Martins, A Zunger Physical Review B 31 (4), 2561, 1985 | 445 | 1985 |
Ab initio molecular dynamics with variable cell shape: application to MgSiO 3 RM Wentzcovitch, JL Martins, GD Price Physical Review Letters 70 (25), 3947, 1993 | 380 | 1993 |
Efficient pseudopotentials for plane-wave calculations. II. Operators for fast iterative diagonalization N Troullier, JL Martins Physical Review B 43 (11), 8861, 1991 | 374 | 1991 |
Structural and electronic properties of N Troullier, JL Martins Physical Review B 46 (3), 1754, 1992 | 349 | 1992 |
Electronic States of KxC60: Insulating, Metallic, and Superconducting Character PJ Benning, JL Martins, JH Weaver, LPF Chibante, RE Smalley Science 252 (5011), 1417-1419, 1991 | 319 | 1991 |
Stability of ordered bulk and epitaxial semiconductor alloys JL Martins, A Zunger Physical review letters 56 (13), 1400, 1986 | 290 | 1986 |
Energetics of interplanar binding in graphite MC Schabel, JL Martins Physical review B 46 (11), 7185, 1992 | 254 | 1992 |
Variational spherical model of small metallic particles JL Martins, R Car, J Buttet Surface science 106 (1-3), 265-271, 1981 | 225 | 1981 |
Energy versus free-energy conservation in first-principles molecular dynamics RM Wentzcovitch, JL Martins, PB Allen Physical Review B 45 (19), 11372, 1992 | 216 | 1992 |
Electronic properties of alkali trimers JL Martins, R Car, J Buttet The Journal of Chemical Physics 78 (9), 5646-5655, 1983 | 212 | 1983 |
Theory of high-pressure phases of hydrogen TW Barbee III, ML Cohen, JL Martins Physical review letters 62 (10), 1150, 1989 | 187 | 1989 |
Pseudopotential plane-wave calculations for ZnS JL Martins, N Troullier, SH Wei Physical Review B 43 (3), 2213, 1991 | 169 | 1991 |
Band dispersion and empty electronic states in solid : Inverse photoemission and theory MB Jost, N Troullier, DM Poirier, JL Martins, JH Weaver, LPF Chibante, ... Physical Review B 44 (4), 1966, 1991 | 168 | 1991 |
Analysis of occupied and empty electronic states of C60 JL Martins, N Troullier, JH Weaver Chemical physics letters 180 (5), 457-460, 1991 | 166 | 1991 |
Simulation of Si clusters via Langevin molecular dynamics with quantum forces N Binggeli, JL Martins, JR Chelikowsky Physical review letters 68 (19), 2956, 1992 | 160 | 1992 |